N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[4-(4-cyclohexyl-1-piperazinyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[4-(4-cyclohexylpiperazino)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H30N6OS MolecularWeight: 414.5675

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C4CCCCC4

Isomeric SMILES

CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C21H30N6OS/c1-25-16-22-24-21(25)29-15-20(28)23-17-7-9-19(10-8-17)27-13-11-26(12-14-27)18-5-3-2-4-6-18/h7-10,16,18H,2-6,11-15H2,1H3,(H,23,28)